UCSF

ZINC36777267

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.69 4.5 -107.38 4 3 2 45 209.337 5
Hi High (pH 8-9.5) 0.69 2.67 -44.31 3 3 1 44 208.329 5
Mid Mid (pH 6-8) 0.69 2.72 -84.96 4 3 2 45 209.337 5
Mid Mid (pH 6-8) 0.69 3.98 -27.22 3 3 1 43 208.329 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )